Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase 28

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q96RU2

UPID:

UBP28_HUMAN

Alternative names:

Deubiquitinating enzyme 28; Ubiquitin thioesterase 28; Ubiquitin-specific-processing protease 28

Alternative UPACC:

Q96RU2; B0YJC0; B0YJC1; Q6NZX9; Q9P213

Background:

Ubiquitin carboxyl-terminal hydrolase 28, also known as Deubiquitinating enzyme 28, plays a crucial role in DNA damage response and MYC proto-oncogene stability. It specifically deubiquitinates proteins in the DNA damage pathway, such as CLSPN, and is pivotal in the G2 DNA damage checkpoint. This enzyme uniquely interacts with isoform 1 of FBXW7 in the nucleoplasm to prevent MYC degradation, while not affecting isoform 4, allowing selective MYC degradation in the nucleolus.

Therapeutic significance:

Understanding the role of Ubiquitin carboxyl-terminal hydrolase 28 could open doors to potential therapeutic strategies.